CHEBI:70000 - combretanone F

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ChEBI Name combretanone F
ChEBI ID CHEBI:70000
Definition A pentacyclic triterpenoid that is 9β,19-cyclolanost-25-ene substituted by an oxo group at position 3 and hydroxy groups at positions 7 and 23. It has been isolated from the leaves of Combretum quadrangulare.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C31H50O3
Net Charge 0
Average Mass 470.72690
Monoisotopic Mass 470.37600
InChI InChI=1S/C31H50O3/c1-18(2)20(4)22(32)15-19(3)21-9-11-29(8)26-23(33)16-24-27(5,6)25(34)10-12-30(24)17-31(26,30)14-13-28(21,29)7/h19-24,26,32-33H,1,9-17H2,2-8H3/t19-,20?,21-,22?,23+,24+,26+,28-,29+,30-,31+/m1/s1
InChIKey QUPJGITVAPYCDP-XFMQLQBYSA-N
SMILES C[C@H](CC(O)C(C)C(C)=C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CCC(=O)C4(C)C
Metabolite of Species Details
Combretum quadrangulare (IPNI:170410-1) Found in leaf (BTO:0000713). Methanolic extract of leaves See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing combretanone F (CHEBI:70000) has parent hydride cycloartane (CHEBI:37778)
combretanone F (CHEBI:70000) has role metabolite (CHEBI:25212)
combretanone F (CHEBI:70000) has role plant metabolite (CHEBI:76924)
combretanone F (CHEBI:70000) is a 3-oxo-5α-steroid (CHEBI:13601)
combretanone F (CHEBI:70000) is a cyclic terpene ketone (CHEBI:36130)
combretanone F (CHEBI:70000) is a diol (CHEBI:23824)
combretanone F (CHEBI:70000) is a pentacyclic triterpenoid (CHEBI:25872)
IUPAC Name
7β,23-dihydroxy-24-methyl-9β,19-cyclolanost-25-en-3-one
Registry Number Type Source
21312859 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21265555 PubMed citation Europe PMC
Last Modified
28 March 2017